Chemical Properties of Dimethylmalonic acid, 4-chlorophenyl ethyl ester

InChI

InChI=1S/C13H15ClO4/c1-4-17-11(15)13(2,3)12(16)18-10-7-5-9(14)6-8-10/h5-8H,4H2,1-3H3

InChI Key

YARLDFPKAPGMBN-UHFFFAOYSA-N

Formula

C13H15ClO4

SMILES

CCOC(=O)C(C)(C)C(=O)Oc1ccc(Cl)cc1

Molecular Weight¹

270.71

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[271.17; 594.40]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.07010e+01
Coefficient B			1.12346e+00
Coefficient C			-6.50560e-04
Coefficient D			1.10800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	271.17	J/mol×K	273.00	Calculated Property
Cp,gas	331.64	J/mol×K	353.78	Calculated Property
Cp,gas	385.15	J/mol×K	434.56	Calculated Property
Cp,gas	432.05	J/mol×K	515.33	Calculated Property
Cp,gas	472.70	J/mol×K	596.11	Calculated Property
Cp,gas	507.45	J/mol×K	676.89	Calculated Property
Cp,gas	536.64	J/mol×K	757.67	Calculated Property
Cp,gas	560.63	J/mol×K	838.44	Calculated Property
Cp,gas	579.77	J/mol×K	919.22	Calculated Property
Cp,gas	594.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015407; 0.0001145]	Pa×s	[392.21; 628.98]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.33799e+01
Coefficient B			2.70798e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			392.21
Temperature range, max.			628.98
η	0.0015407	Pa×s	392.21	Calculated Property
η	0.0009982	Pa×s	418.52	Calculated Property
η	0.0006808	Pa×s	444.83	Calculated Property
η	0.0004846	Pa×s	471.13	Calculated Property
η	0.0003576	Pa×s	497.44	Calculated Property
η	0.0002720	Pa×s	523.75	Calculated Property
η	0.0002124	Pa×s	550.06	Calculated Property
η	0.0001697	Pa×s	576.37	Calculated Property
η	0.0001382	Pa×s	602.67	Calculated Property
η	0.0001145	Pa×s	628.98	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 4-chlorophenyl ethyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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